2019/07/19 by Haoming Ding, Youbing Li, Ding, Haoming +26
Engineering · Materials Science · #2D Materials and Applications #Aluminum Alloys Composites Properties #FOS: Physical sciences #MXene and MAX Phase Materials #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.1907.08405
openalex publication_date 2019/07/19 · openalex created_date 2019/07/30 · openalex updated_date 2026/07/28
New MAX phases Ti2(AlxCu1-x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically-resolved scanning transmission electron microscopy showed complete A-site replacement in Nb2AlC, which lead to formation of Nb2CuC. However, the replacement of Al in Ti2AlN phase was only close to complete at Ti2(Al0.1Cu0.9)N. Density-functional theory calculations corroborated the structural stability of Nb2CuC and Ti2CuN phases. Moreover, the calculated cleavage energy in these Cu-containing MAX phases are weaker than in their Al-containing counterparts, indicating that they are precursor candidates for MXene derivation.